ChemSpider 2D Image | Rottlerin | C30H28O8

Rottlerin

  • Molecular FormulaC30H28O8
  • Average mass516.539 Da
  • Monoisotopic mass516.178406 Da
  • ChemSpider ID4445144

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-1-[6-(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl]-3-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-[6-(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl]-3-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-[6-(3-Acétyl-2,4,6-trihydroxy-5-méthylbenzyl)-5,7-dihydroxy-2,2-diméthyl-2H-chromén-8-yl]-3-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-1-[6-(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl]-3-phenylprop-2-en-1-one
(2E)-1-{6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl}-3-phenylprop-2-en-1-one
1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-1-benzopyran-8-yl]-3-phenyl-2-propen-1-one
1-[6-[(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl]-3-phenyl-2-propen-1-one
201-395-4 [EINECS]
2-Propen-1-one, 1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl]-3-phenyl-, (2E)- [ACD/Index Name]
5,7-Dihydroxy-2,2-dimethyl-6-(2,4,6-trihydroxy-3-methyl-5-acetylbenzyl)-8-cinnamoyl-1,2-chromene
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Bio1_000331 [DBID]
Bio1_000820 [DBID]
Bio1_001309 [DBID]
Bio2_000380 [DBID]
Bio2_000860 [DBID]
BRN 0070757 [DBID]
C10721 [DBID]
CBiol_002045 [DBID]
EU-0101052 [DBID]
KBio2_000420 [DBID]
More...
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      200 °C Indofine [027309]
      212 °C Jean-Claude Bradley Open Melting Point Dataset 25595
      200 °C Indofine [027309] , [027309]

    • Experimental Solubility:

      Soluble in ethanol (2mM, gentle warming) or DMSO (20mM) Hello Bio HB0561
      Soluble to 2 mM in ethanol and to 100 mM in DMSO Tocris Bioscience 1610
      Soluble to 2 mM in ethanol with gentle warming and to 100 mM in DMSO Tocris Bioscience 1610
      Soluble to 2 mM in ethanol with gentle warming and to 20 mM in DMSO Tocris Bioscience 1610
      Soluble to 20 mM in DMSO Tocris Bioscience 1610
  • Miscellaneous

    • Chemical Class:

      A chromenol that is 2,2-dimethyl-2<element>H</element>-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1<stereo>E</st ereo>)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from <ital>Mallotus philippensis</ital>. ChEBI CHEBI:8899
      A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8899, CHEBI:8899

    • Bio Activity:

      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB0561
      Enzymes Tocris Bioscience 1610
      Enzymes/Kinase/PKC Hello Bio HB0561
      Kinases Tocris Bioscience 1610
      Originally reported to inhibit PKC isoforms. Also reported to inhibit CAM kinase III. However, recently shown to inhibit a wide range of protein kinases, and most potently to inhibit PRAK and MAPKAP-K 2 (IC50 values are 1.9 and 5 ?M respectively). Also shown to act as a direct mitochondrial uncoupler. Thought to stimulate autophagy by targeting upstream mTORC1 control pathways. Tocris Bioscience 1610
      Originally reported to inhibit PKC isoforms. Also reported to inhibit CAM kinase III. However, recently shown to inhibit a wide range of protein kinases, and most potently to inhibit PRAK and MAPKAP-K2 (IC50 values are 1.9 and 5 ?M respectively). Also shown to act as a direct mitochondrial uncoupler. Thought to stimulate autophagy by targeting upstream mTORC1 control pathways. Tocris Bioscience 1610
      Originally reported to inhibit PKC isoforms. Also reported to inhibit CAM kinase III. However, recently shown to inhibit a wide range of protein kinases, and most potently to inhibit PRAK and MAPKAP-K2 (IC50 values are 1.9 and 5 muM respectively). Also shown to act as a direct mitochondrial uncoupler. Thought to stimulate autophagy by targeting upstream mTORC1 control pathways. Tocris Bioscience 1610
      PKC inhibitor Hello Bio HB0561
      Protein Kinase C Tocris Bioscience 1610
      Protein kinase C inhibitor (IC<sub>50</sub> = 3-6 &micro;M for PKC-&delta;). Inhibits cAM-kinase III, PRAK (IC<sub>50</sub> = 1.9 &micro;M) and MAPKAP-K2 (IC<sub>50</sub> = 5.4 &micro;M). Novel lipoprotein receptor-related protein-6 (LRP6) inhibitor. Also suppresses Wnt/&beta;-catenin and mTORC1 signalling. Displays cell growth suppressing, apoptosis inducing and anti-angiogenesis properties. Hello Bio HB0561
      Reported PKC? inhibitor Tocris Bioscience 1610
      Reported PKCdelta inhibitor Tocris Bioscience 1610

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 800.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 266.0±27.8 °C
Index of Refraction: 1.682
Molar Refractivity: 143.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 8.66
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 83308.73
ACD/KOC (pH 5.5): 113419.69
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 9376.03
ACD/KOC (pH 7.4): 12764.89
Polar Surface Area: 145 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 378.8±3.0 cm3

Click to predict properties on the Chemicalize site


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